9GZV

Crystal structure of human NUDT14 in complex with a potent inhibitor (MA-955-9)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-02
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	I 2 2 2
Unit cell lengths	62.989, 98.578, 168.783
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.010 - 1.950
R-factor	0.2023
Rwork	0.201
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.933
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.010	1.980
High resolution limit [Å]	1.950	1.950
Number of reflections	38254	1624
<I/σ(I)>	0.479
Completeness [%]	98.8
Redundancy	12.7
CC(1/2)	0.999	0.406

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	16% PEG8000, 20% Glycerol, 0.16M Calcium Acetate, 0.1M Cacodylate